1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide

C10H18IN3S — CID 110914274

IUPAC1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESCCNC(=NCc1cccs1)NCC.I
InChIInChI=1S/C10H17N3S.HI/c1-3-11-10(12-4-2)13-8-9-6-5-7-14-9;/h5-7H,3-4,8H2,1-2H3,(H2,11,12,13);1H
InChIKeyOXZZPXYYVJSMBM-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.44
Rot. Bonds4

About 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide

1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110914274) has the molecular formula C10H18IN3S and a molecular weight of 339.25 g/mol. Its IUPAC name is 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
PubChem CID110914274
Molecular FormulaC10H18IN3S
Molecular Weight339.25 g/mol
Exact Mass339.03
IUPAC Name1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESCCNC(=NCc1cccs1)NCC.I
InChIInChI=1S/C10H17N3S.HI/c1-3-11-10(12-4-2)13-8-9-6-5-7-14-9;/h5-7H,3-4,8H2,1-2H3,(H2,11,12,13);1H
InChIKeyOXZZPXYYVJSMBM-UHFFFAOYSA-N
XLogP2.44
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-propyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111225400
1-amino-3-ethyl-2-(thiophen-2-ylmethyl)guanidine
CID 116513135
1-ethyl-3-prop-2-ynyl-2-(thiophen-2-ylmethyl)guanidine
CID 111260173
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111178780
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 109417753
1-ethyl-3-(3-methoxypropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110974619
1-(2-butoxyethyl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260334
1-(3-cyclopropylpropyl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111794805
1-ethyl-2-[(2-ethylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111635763
1-ethyl-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111965631
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 109469720
1-ethyl-3-(2-pyrazol-1-ylethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111260333

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide (CID 110914274) is 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide is CCNC(=NCc1cccs1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is OXZZPXYYVJSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.HI/c1-3-11-10(12-4-2)13-8-9-6-5-7-14-9;/h5-7H,3-4,8H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide?
1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 339.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110914274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).